element(s): ['C'] AFLOW prototype label: A_cI16_229_f Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.8764', '0.16261302'] model name: MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.16261302 0.16261302 0.16261302]] spacegroup = 229 cell = [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]] ========================================= Step Time Energy fmax BFGS: 0 17:42:54 -113.685849 1.4028 BFGS: 1 17:42:54 -113.981926 0.6363 BFGS: 2 17:42:54 -114.011043 0.5452 BFGS: 3 17:42:54 -114.033217 0.4905 BFGS: 4 17:42:54 -114.093451 0.3919 BFGS: 5 17:42:54 -114.148797 0.4597 BFGS: 6 17:42:54 -114.200152 0.4509 BFGS: 7 17:42:54 -114.244482 0.3829 BFGS: 8 17:42:54 -114.277533 0.2641 BFGS: 9 17:42:54 -114.294426 0.0920 BFGS: 10 17:42:54 -114.295544 0.0183 BFGS: 11 17:42:54 -114.295607 0.0064 BFGS: 12 17:42:54 -114.295620 0.0000 BFGS: 13 17:42:54 -114.295620 0.0000 BFGS: 14 17:42:54 -114.295620 0.0000 Minimization converged after 14 steps. Maximum force component: 2.993483956085602e-09 eV/Angstrom Maximum stress component: 2.875956871656895e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.16121585 0.16121585 0.16121585] [0.83878415 0.83878415 0.16121585] [0.83878415 0.16121585 0.83878415] [0.16121585 0.83878415 0.83878415] [0.16121585 0.16121585 0.83878415] [0.83878415 0.83878415 0.83878415] [0.16121585 0.83878415 0.16121585] [0.83878415 0.16121585 0.16121585] [0.66121585 0.66121585 0.66121585] [0.33878415 0.33878415 0.66121585] [0.33878415 0.66121585 0.33878415] [0.66121585 0.33878415 0.33878415] [0.66121585 0.66121585 0.33878415] [0.33878415 0.33878415 0.33878415] [0.66121585 0.33878415 0.66121585] [0.33878415 0.66121585 0.66121585]] cellpar = Cell([[4.770093466321729, 1.2321744186248237e-32, 2.1119322421948536e-33], [8.036023873003416e-33, 4.770093466321729, 5.074090890976961e-18], [-3.746380339720539e-33, 5.074090890976969e-18, 4.770093466321729]]) forces = [[-2.99348396e-09 -2.99348396e-09 -2.99348396e-09] [ 2.99348396e-09 2.99348396e-09 -2.99348396e-09] [ 2.99348396e-09 -2.99348396e-09 2.99348396e-09] [-2.99348396e-09 2.99348396e-09 2.99348396e-09] [-2.99348396e-09 -2.99348396e-09 2.99348396e-09] [ 2.99348396e-09 2.99348396e-09 2.99348396e-09] [-2.99348396e-09 2.99348396e-09 -2.99348396e-09] [ 2.99348396e-09 -2.99348396e-09 -2.99348396e-09] [-2.99348396e-09 -2.99348396e-09 -2.99348396e-09] [ 2.99348396e-09 2.99348396e-09 -2.99348396e-09] [ 2.99348396e-09 -2.99348396e-09 2.99348396e-09] [-2.99348396e-09 2.99348396e-09 2.99348396e-09] [-2.99348396e-09 -2.99348396e-09 2.99348396e-09] [ 2.99348396e-09 2.99348396e-09 2.99348396e-09] [-2.99348396e-09 2.99348396e-09 -2.99348396e-09] [ 2.99348396e-09 -2.99348396e-09 -2.99348396e-09]] stress = [ 2.87595687e-10 2.87595687e-10 2.87595687e-10 -1.13424309e-26 3.18913405e-59 4.34162014e-59] energy per atom = -7.143476274332587 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0